SCHEMBL4061352

SCHEMBL4061352

CC[C@H](CO)Nc1nc(Nc2ccc(S(=O)(=O)NCCCN3CCCC3=O)cc2)ncc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CDK1 P06493 16/20 0.48
▸ CDK2 P24941 15/20 0.48
▸ KDR P35968 12/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ CCNB1 P14635 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ PLK1 P53350 1/20 0.43
▸ PLK3 Q9H4B4 1/20 0.43
▸ PLK2 Q9NYY3 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4061570 0.91 POLB (0.45) POLBKMT2ATDP1CDK1CDK2
SCHEMBL4066296 0.91 CDK1 (0.60) POLBKMT2ATDP1CDK1CDK2
SCHEMBL4063111 0.89 BRD4 (0.41) POLBKMT2ATDP1CDK1CDK2
SCHEMBL4064803 0.86 CDK1 (0.52) CDK1CDK2KDRCA2CDK4
SCHEMBL4066354 0.85 CDK1 (0.51) CDK1CDK2KDRCA2CDK4
SCHEMBL13648965 0.84 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL13648973 0.84 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL13648964 0.84 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL13648958 0.84 CDK1 (0.55) CDK1CDK2KDRCA2CDK4
SCHEMBL13648963 0.84 CDK1 (0.55) CDK1CDK2KDRCA2CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 — — EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 — — US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 POLB 84/4885KMT2A 873/4885TDP1 260/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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